Jing-Fa Liu1,2* and Wen-Qi Huang1 1 School of Computer Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, China;2Department of Mathematics, Hengyang Normal College, Hengyang 421008, China.
通讯作者：
Liu, J.-F.
作者机构：
[Jing-Fa Liu1,2* and Wen-Qi Huang1 1 School of Computer Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, China] School of Computer Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, China. ljf720622@163.com
通讯机构：
School of Computer Science and Technology, Huazhong University of Science and Technology, China
In this paper, we study an off-lattice protein AB model with two species of monomers, hydrophobic and hydrophilic, and present a heuristic quasi-physical algorithm. First, by elaborately simulating the movement of the smooth solids in the physical world, we find low-energy conformations for a given monomer chain. A subsequent off-trap strategy is then proposed to trigger a jump for a stuck situation in order to get out of the local minima. The algorithm has been tested in the three-dimensional AB model for all sequences with lengths of 13-55 monomers. In several cases, we renew the putative gr...
摘要(中文)：
在这篇论文，我们与单体的二种学习一个离开格子蛋白质 AB 模型，恐水病、吸水、在场一个启发式的伪物理的算法。由精心地在物理世界上模仿光滑的固体的运动，首先，我们为给定的单体链发现低精力的符合构造。随后的离开陷井策略然后被建议被触发一为一种粘住的状况的 jump 以便从本地最小出来。算法与一些 13-55 单体为所有序列在三维的 AB 模型被测试了。在几种情况中，我们更新通常认为的地面状态精力价值。数字结果证明建议方法为发现蛋白质的扎根的状态是很有希望的。
